9FZF

Transcriptional repressor NrdR from E. coli, ADP/dATP bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-19
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 62 2 2
Unit cell lengths	147.126, 147.126, 85.805
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	127.420 - 2.444
R-factor	0.2181
Rwork	0.215
R-free	0.28310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.850
Data reduction software	autoPROC (15-Mar-2019)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	127.420	2.699
High resolution limit [Å]	2.444	2.444
Rmerge	0.310	2.635
Rmeas	0.315	2.667
Rpim	0.050	0.413
Number of reflections	10132	517
<I/σ(I)>	10.6	1.6
Completeness [%]	95.1	84.7
Redundancy	39.1	41.2
CC(1/2)	0.999	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M Bis-Tris pH 5.5, 0.2 M ammonium acetate, 45% (v/v) MPD